(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enamide

Formula:C16H8N2OCl3F Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enamide
MolecularFormula	C16H8N2OCl3F
Smiles	N#C/C(/C(Nc(cc1)cc(Cl)c1F)=O)=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C16H8Cl3FN2O/c17-12-2-1-3-13(18)11(12)6-9(8-21)16(23)22-10-4-5-15(20)14(19)7-10/h1-7H,(H,22,23)
InChIK	VLWDHTHGMSXACK-UHFFFAOYSA-N
TotalMolweight	369.61
Molweight	369.61
MonoisotopicMass	367.968622
CLogP	4.9071
CLogS	-6.292
H Acceptors	3
H Donors	1
TotalSurfaceArea	261.26
Relative PSA	0.14568
PolarSurfaceArea	52.89
Druglikeness	-3.0415
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	3
Amides	1
StereoCon

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